Conducting polymer–carbon black nanocomposite sensor for volatile organic compounds and correlating sensor response by molecular dynamics

• Published in: Sensors and actuators. B, Chemical Vol. 201; pp. 308 - 320
• Main Authors: Mallya, Ashwini N., Kottokkaran, Ranjith, Ramamurthy, Praveen C.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.10.2014
• Subjects: Chemiresistor; Dispersion interaction; Molecular dynamics; Nanocomposite; Solubility parameter; Volatile organic compound; Solubility parameter; Molecular dynamics; Dispersion interaction; Nanocomposite; Volatile organic compound; Chemiresistor
• ISSN: 0925-4005; 1873-3077
• DOI: 10.1016/j.snb.2014.04.056

•A chemiresistor of conducting polymer nanocomposite for sensing VOC is fabricated.•Molecular dynamics is used to understand the interaction of the polymer with VOC.•The sensor shows repeatable and reproducible selectivity for toluene.•The LLOD of the sensor is 15±10ppm for toluene. Volatile organic compounds (VOCs) are present in our every day used products such as plastics, cosmetics, air fresheners, paint, etc. The determination of amount of VOC present in atmosphere can be carried out via various sensors. In this work a nanocomposite of a novel thiophene based conducting polymer and carbon black is used as a volatile organic compound sensor. The fabricated 2 lead chemiresistor sensor was tested for vapours of toluene, acetone, cylcohexane, and carbon tetrachloride. The sensor responds to all the vapours, however, exhibit maximum response to toluene vapours. The sensor was evaluated for various concentrations of toluene. The lower limit of detection of the sensor is 15±10ppm. The study of the effect of humidity on senor response to toluene showed that the response decreases at higher humidity conditions. The surface morphology of the nanocomposite was characterized by scanning electron microscopy. Diffuse reflectance spectroscopy was used to investigate the absorption of vapours by the nanocomposite film. Contact angle measurements were used to present the effect of water vapour on the toluene response of nanocomposite film. Solubility parameter of the conducting polymer is predicted by molecular dynamics. The sensing behaviour of the conducting polymer is correlated with solubility parameter of the polymer. Dispersion interaction of conducting polymer with toluene is believed to be the reason for the selective response towards toluene.